CID 1909107

(3z)-3-[3-(4-ethoxyphenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]-1-ethyl-1,3-dihydro-2h-indol-2-one

Structural Information

Molecular Formula
C21H18N2O3S2
SMILES
CCN1C2=CC=CC=C2/C(=C/3\C(=O)N(C(=S)S3)C4=CC=C(C=C4)OCC)/C1=O
InChI
InChI=1S/C21H18N2O3S2/c1-3-22-16-8-6-5-7-15(16)17(19(22)24)18-20(25)23(21(27)28-18)13-9-11-14(12-10-13)26-4-2/h5-12H,3-4H2,1-2H3/b18-17-
InChIKey
BFIZIZVGHKHILD-ZCXUNETKSA-N
Compound name
(5Z)-3-(4-ethoxyphenyl)-5-(1-ethyl-2-oxoindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.0759 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.08318 198.0
[M+Na]+ 433.06512 208.9
[M-H]- 409.06862 206.9
[M+NH4]+ 428.10972 212.3
[M+K]+ 449.03906 201.4
[M+H-H2O]+ 393.07316 192.2
[M+HCOO]- 455.07410 207.5
[M+CH3COO]- 469.08975 208.0
[M+Na-2H]- 431.05057 191.2
[M]+ 410.07535 202.6
[M]- 410.07645 202.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.